4-(1H-indol-2-yl)benzenesulfonamide

C14H12N2O2S — CID 127029020

IUPAC4-(1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
InChIKeyFQMXYEJYLSYDSS-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.48
Rot. Bonds2

About 4-(1H-indol-2-yl)benzenesulfonamide

4-(1H-indol-2-yl)benzenesulfonamide (PubChem CID 127029020) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indol-2-yl)benzenesulfonamide
PubChem CID127029020
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
InChIKeyFQMXYEJYLSYDSS-UHFFFAOYSA-N
XLogP2.48
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1H-indol-2-yl)benzenesulfonamide (CID 127029020) is 4-(1H-indol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-indol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1H-indol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-indol-2-yl)benzenesulfonamide?
The InChIKey is FQMXYEJYLSYDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18).
What are the key properties of 4-(1H-indol-2-yl)benzenesulfonamide?
4-(1H-indol-2-yl)benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)benzenesulfonamide is sourced from PubChem (CID 127029020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).